CID 10267419

(11z)-8,18-ethanoretinal

Structural Information

Molecular Formula
C22H30O
SMILES
C/C(=C\C=O)/C=C\C=C(/C)\C1=CC2=C(CCC1)CCCC2(C)C
InChI
InChI=1S/C22H30O/c1-17(13-15-23)8-5-9-18(2)20-11-6-10-19-12-7-14-22(3,4)21(19)16-20/h5,8-9,13,15-16H,6-7,10-12,14H2,1-4H3/b8-5-,17-13+,18-9+
InChIKey
ARNSYHHHMPKWSV-ZFDCRCAWSA-N
Compound name
(2E,4Z,6E)-7-(4,4-dimethyl-1,2,3,7,8,9-hexahydrobenzo[7]annulen-6-yl)-3-methylocta-2,4,6-trienal
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

310.22968 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.236956 173.7
[M+Na]+ 333.218898 176.3
[M-H]- 309.222404 177.7
[M+NH4]+ 328.263503 190.5
[M+K]+ 349.192838 174.4
[M+H-H2O]+ 293.226940 168.9
[M+HCOO]- 355.227881 188.2
[M+CH3COO]- 369.243531 209.3
[M+Na-2H]- 331.204346 172.7
[M]+ 310.22913142 167.9
[M]- 310.23022858 167.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.